USER MOD reduce.3.24.130724 H: found=0, std=0, add=341, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 333 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 338 CYS SG : rot -138:sc= -1.62 USER MOD Set 1.2: A 341 CYS SG : rot 136:sc= 0.282 USER MOD Set 1.3: A 365 CYS SG : rot -39:sc= 0.226 USER MOD Set 1.4: A 368 CYS SG : rot 135:sc= -2.84! USER MOD Set 2.1: A 323 CYS SG : rot -171:sc= -0.0795 USER MOD Set 2.2: A 326 CYS SG : rot -57:sc= 0.112 USER MOD Set 2.3: A 346 HIS : no HD1:sc= -0.217 K(o=-2.1,f=-6.7!) USER MOD Set 2.4: A 348 TYR OH : rot 176:sc= 0.716 USER MOD Set 2.5: A 349 CYS SG : rot -150:sc= -2.61! USER MOD Single : A 324 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-3.5!) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0.375 (180deg=0.375) USER MOD Single : A 335 GLN : amide:sc= -0.207 K(o=-0.21,f=-4!) USER MOD Single : A 343 MET CE :methyl -123:sc= -0.381 (180deg=-1.98!) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0.00479 USER MOD Single : A 356 SER OG : rot 180:sc= -0.0865 USER MOD Single : A 364 TYR OH : rot -124:sc= 0.564 USER MOD Single : A 367 SER OG : rot -30:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.366 19.168 9.172 1.00 0.00 N ATOM 286 CA ALA A 322 6.345 20.373 8.328 1.00 0.00 C ATOM 287 C ALA A 322 5.705 21.563 9.072 1.00 0.00 C ATOM 288 O ALA A 322 5.632 21.563 10.310 1.00 0.00 O ATOM 289 CB ALA A 322 5.598 20.036 7.032 1.00 0.00 C ATOM 0 HA ALA A 322 7.363 20.679 8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 322 5.570 20.916 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 322 6.113 19.226 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 322 4.580 19.727 7.269 1.00 0.00 H new ATOM 295 N CYS A 323 5.285 22.591 8.303 1.00 0.00 N ATOM 296 CA CYS A 323 4.623 23.792 8.832 1.00 0.00 C ATOM 297 C CYS A 323 3.408 23.440 9.707 1.00 0.00 C ATOM 298 O CYS A 323 2.341 23.104 9.189 1.00 0.00 O ATOM 299 CB CYS A 323 4.206 24.708 7.679 1.00 0.00 C ATOM 300 SG CYS A 323 3.097 26.077 8.148 1.00 0.00 S ATOM 0 H CYS A 323 5.399 22.606 7.290 1.00 0.00 H new ATOM 0 HA CYS A 323 5.338 24.315 9.468 1.00 0.00 H new ATOM 0 HB2 CYS A 323 5.104 25.127 7.224 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.713 24.106 6.916 1.00 0.00 H new ATOM 0 HG CYS A 323 2.660 26.668 7.076 1.00 0.00 H new ATOM 305 N HIS A 324 3.598 23.552 11.039 1.00 0.00 N ATOM 306 CA HIS A 324 2.666 23.035 12.055 1.00 0.00 C ATOM 307 C HIS A 324 1.331 23.815 12.086 1.00 0.00 C ATOM 308 O HIS A 324 0.313 23.300 12.557 1.00 0.00 O ATOM 309 CB HIS A 324 3.347 23.048 13.454 1.00 0.00 C ATOM 310 CG HIS A 324 3.580 24.414 14.061 1.00 0.00 C ATOM 311 ND1 HIS A 324 3.158 24.767 15.326 1.00 0.00 N ATOM 312 CD2 HIS A 324 4.220 25.510 13.569 1.00 0.00 C ATOM 313 CE1 HIS A 324 3.543 26.025 15.557 1.00 0.00 C ATOM 314 NE2 HIS A 324 4.194 26.520 14.522 1.00 0.00 N ATOM 0 H HIS A 324 4.415 24.011 11.441 1.00 0.00 H new ATOM 0 HA HIS A 324 2.420 22.009 11.783 1.00 0.00 H new ATOM 0 HB2 HIS A 324 2.733 22.466 14.141 1.00 0.00 H new ATOM 0 HB3 HIS A 324 4.307 22.538 13.374 1.00 0.00 H new ATOM 0 HD2 HIS A 324 4.676 25.583 12.593 1.00 0.00 H new ATOM 0 HE1 HIS A 324 3.347 26.566 16.471 1.00 0.00 H new ATOM 0 HE2 HIS A 324 4.596 27.454 14.439 1.00 0.00 H new ATOM 322 N VAL A 325 1.361 25.050 11.552 1.00 0.00 N ATOM 323 CA VAL A 325 0.213 25.983 11.557 1.00 0.00 C ATOM 324 C VAL A 325 -0.967 25.427 10.732 1.00 0.00 C ATOM 325 O VAL A 325 -2.109 25.437 11.179 1.00 0.00 O ATOM 326 CB VAL A 325 0.632 27.397 11.003 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.494 28.453 11.169 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.940 27.873 11.663 1.00 0.00 C ATOM 0 H VAL A 325 2.190 25.435 11.100 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.110 26.092 12.592 1.00 0.00 H new ATOM 0 HB VAL A 325 0.804 27.286 9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.156 29.410 10.772 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.381 28.128 10.626 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -0.736 28.563 12.226 1.00 0.00 H new ATOM 0 HG21 VAL A 325 2.212 28.851 11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 325 1.798 27.945 12.741 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.736 27.160 11.448 1.00 0.00 H new ATOM 338 N CYS A 326 -0.660 24.944 9.519 1.00 0.00 N ATOM 339 CA CYS A 326 -1.657 24.311 8.623 1.00 0.00 C ATOM 340 C CYS A 326 -1.459 22.788 8.585 1.00 0.00 C ATOM 341 O CYS A 326 -2.231 22.075 7.941 1.00 0.00 O ATOM 342 CB CYS A 326 -1.550 24.904 7.190 1.00 0.00 C ATOM 343 SG CYS A 326 0.069 24.690 6.367 1.00 0.00 S ATOM 0 H CYS A 326 0.281 24.978 9.127 1.00 0.00 H new ATOM 0 HA CYS A 326 -2.653 24.520 9.014 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.318 24.445 6.567 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.775 25.969 7.239 1.00 0.00 H new ATOM 0 HG CYS A 326 1.002 25.219 7.101 1.00 0.00 H new ATOM 348 N GLY A 327 -0.419 22.297 9.298 1.00 0.00 N ATOM 349 CA GLY A 327 0.025 20.895 9.193 1.00 0.00 C ATOM 350 C GLY A 327 0.548 20.546 7.794 1.00 0.00 C ATOM 351 O GLY A 327 0.785 19.374 7.480 1.00 0.00 O ATOM 0 H GLY A 327 0.127 22.856 9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 327 0.809 20.710 9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -0.806 20.235 9.442 1.00 0.00 H new ATOM 355 N GLY A 328 0.790 21.594 6.990 1.00 0.00 N ATOM 356 CA GLY A 328 0.994 21.469 5.553 1.00 0.00 C ATOM 357 C GLY A 328 2.457 21.341 5.172 1.00 0.00 C ATOM 358 O GLY A 328 3.302 22.100 5.665 1.00 0.00 O ATOM 0 H GLY A 328 0.848 22.554 7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 328 0.452 20.596 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.569 22.340 5.054 1.00 0.00 H new ATOM 362 N ARG A 329 2.739 20.365 4.299 1.00 0.00 N ATOM 363 CA ARG A 329 4.078 20.092 3.740 1.00 0.00 C ATOM 364 C ARG A 329 4.247 20.825 2.396 1.00 0.00 C ATOM 365 O ARG A 329 5.308 20.771 1.774 1.00 0.00 O ATOM 366 CB ARG A 329 4.247 18.556 3.568 1.00 0.00 C ATOM 367 CG ARG A 329 3.742 17.736 4.778 1.00 0.00 C ATOM 368 CD ARG A 329 3.999 16.237 4.647 1.00 0.00 C ATOM 369 NE ARG A 329 5.429 15.922 4.765 1.00 0.00 N ATOM 370 CZ ARG A 329 5.919 14.837 5.356 1.00 0.00 C ATOM 371 NH1 ARG A 329 5.112 13.946 5.910 1.00 0.00 N ATOM 372 NH2 ARG A 329 7.220 14.642 5.369 1.00 0.00 N ATOM 0 H ARG A 329 2.026 19.724 3.950 1.00 0.00 H new ATOM 0 HA ARG A 329 4.849 20.458 4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 329 3.709 18.238 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 329 5.301 18.332 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 329 4.227 18.102 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 329 2.672 17.904 4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 329 3.443 15.703 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 329 3.627 15.886 3.685 1.00 0.00 H new ATOM 0 HE ARG A 329 6.094 16.584 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 329 4.102 14.088 5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 329 5.500 13.117 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 329 7.842 15.320 4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 329 7.607 13.813 5.820 1.00 0.00 H new ATOM 386 N GLU A 330 3.166 21.512 1.985 1.00 0.00 N ATOM 387 CA GLU A 330 3.116 22.375 0.792 1.00 0.00 C ATOM 388 C GLU A 330 4.134 23.528 0.882 1.00 0.00 C ATOM 389 O GLU A 330 4.726 23.736 1.939 1.00 0.00 O ATOM 390 CB GLU A 330 1.675 22.933 0.655 1.00 0.00 C ATOM 391 CG GLU A 330 1.178 23.647 1.931 1.00 0.00 C ATOM 392 CD GLU A 330 -0.250 24.188 1.826 1.00 0.00 C ATOM 393 OE1 GLU A 330 -1.197 23.378 1.780 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.439 25.421 1.821 1.00 0.00 O ATOM 0 H GLU A 330 2.279 21.481 2.488 1.00 0.00 H new ATOM 0 HA GLU A 330 3.380 21.787 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.640 23.631 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 330 0.996 22.114 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 330 1.231 22.951 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.852 24.472 2.159 1.00 0.00 H new ATOM 401 N ALA A 331 4.311 24.240 -0.252 1.00 0.00 N ATOM 402 CA ALA A 331 5.195 25.422 -0.404 1.00 0.00 C ATOM 403 C ALA A 331 6.523 25.318 0.397 1.00 0.00 C ATOM 404 O ALA A 331 6.729 26.079 1.358 1.00 0.00 O ATOM 405 CB ALA A 331 4.421 26.706 -0.065 1.00 0.00 C ATOM 0 H ALA A 331 3.827 24.002 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 331 5.501 25.457 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 331 5.078 27.568 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 331 3.570 26.806 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.065 26.655 0.964 1.00 0.00 H new ATOM 411 N PRO A 332 7.434 24.359 0.029 1.00 0.00 N ATOM 412 CA PRO A 332 8.699 24.126 0.782 1.00 0.00 C ATOM 413 C PRO A 332 9.646 25.354 0.733 1.00 0.00 C ATOM 414 O PRO A 332 10.459 25.565 1.643 1.00 0.00 O ATOM 415 CB PRO A 332 9.314 22.881 0.081 1.00 0.00 C ATOM 416 CG PRO A 332 8.708 22.871 -1.292 1.00 0.00 C ATOM 417 CD PRO A 332 7.312 23.438 -1.136 1.00 0.00 C ATOM 0 HA PRO A 332 8.530 23.967 1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 332 10.401 22.952 0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 332 9.078 21.966 0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 332 9.298 23.472 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 332 8.675 21.859 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 332 6.992 23.967 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 332 6.579 22.653 -0.951 1.00 0.00 H new ATOM 425 N GLU A 333 9.499 26.147 -0.344 1.00 0.00 N ATOM 426 CA GLU A 333 10.214 27.423 -0.541 1.00 0.00 C ATOM 427 C GLU A 333 9.752 28.493 0.475 1.00 0.00 C ATOM 428 O GLU A 333 10.561 29.270 0.984 1.00 0.00 O ATOM 429 CB GLU A 333 9.984 27.935 -1.992 1.00 0.00 C ATOM 430 CG GLU A 333 8.492 28.093 -2.384 1.00 0.00 C ATOM 431 CD GLU A 333 8.274 28.753 -3.753 1.00 0.00 C ATOM 432 OE1 GLU A 333 8.169 29.998 -3.808 1.00 0.00 O ATOM 433 OE2 GLU A 333 8.221 28.034 -4.772 1.00 0.00 O ATOM 0 H GLU A 333 8.871 25.917 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 333 11.277 27.244 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 333 10.482 28.898 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 333 10.459 27.244 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 333 8.021 27.110 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 333 7.987 28.686 -1.621 1.00 0.00 H new ATOM 440 N LYS A 334 8.441 28.517 0.771 1.00 0.00 N ATOM 441 CA LYS A 334 7.838 29.534 1.657 1.00 0.00 C ATOM 442 C LYS A 334 7.799 29.056 3.114 1.00 0.00 C ATOM 443 O LYS A 334 7.321 29.791 3.990 1.00 0.00 O ATOM 444 CB LYS A 334 6.420 29.925 1.148 1.00 0.00 C ATOM 445 CG LYS A 334 6.431 30.648 -0.220 1.00 0.00 C ATOM 446 CD LYS A 334 5.029 31.136 -0.652 1.00 0.00 C ATOM 447 CE LYS A 334 5.061 31.998 -1.927 1.00 0.00 C ATOM 448 NZ LYS A 334 5.648 31.284 -3.093 1.00 0.00 N ATOM 0 H LYS A 334 7.772 27.839 0.407 1.00 0.00 H new ATOM 0 HA LYS A 334 8.466 30.424 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 334 5.810 29.025 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 334 5.943 30.569 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 334 7.108 31.501 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 334 6.825 29.973 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 334 4.385 30.273 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 334 4.585 31.713 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 334 4.047 32.312 -2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 334 5.637 32.903 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 5.644 31.912 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 6.626 31.006 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 5.085 30.434 -3.299 1.00 0.00 H new ATOM 462 N GLN A 335 8.304 27.829 3.371 1.00 0.00 N ATOM 463 CA GLN A 335 8.431 27.299 4.737 1.00 0.00 C ATOM 464 C GLN A 335 9.611 27.961 5.469 1.00 0.00 C ATOM 465 O GLN A 335 10.741 27.949 4.984 1.00 0.00 O ATOM 466 CB GLN A 335 8.533 25.740 4.773 1.00 0.00 C ATOM 467 CG GLN A 335 7.182 25.018 4.527 1.00 0.00 C ATOM 468 CD GLN A 335 7.187 23.511 4.828 1.00 0.00 C ATOM 469 OE1 GLN A 335 6.173 22.954 5.266 1.00 0.00 O ATOM 470 NE2 GLN A 335 8.292 22.829 4.565 1.00 0.00 N ATOM 0 H GLN A 335 8.629 27.190 2.646 1.00 0.00 H new ATOM 0 HA GLN A 335 7.513 27.554 5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 335 9.250 25.415 4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 335 8.927 25.433 5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 335 6.416 25.493 5.140 1.00 0.00 H new ATOM 0 HG3 GLN A 335 6.893 25.164 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 335 9.115 23.311 4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.319 21.822 4.723 1.00 0.00 H new ATOM 479 N LEU A 336 9.302 28.568 6.627 1.00 0.00 N ATOM 480 CA LEU A 336 10.276 29.275 7.481 1.00 0.00 C ATOM 481 C LEU A 336 10.239 28.703 8.902 1.00 0.00 C ATOM 482 O LEU A 336 9.221 28.791 9.589 1.00 0.00 O ATOM 483 CB LEU A 336 9.985 30.801 7.498 1.00 0.00 C ATOM 484 CG LEU A 336 10.328 31.574 6.187 1.00 0.00 C ATOM 485 CD1 LEU A 336 9.861 33.045 6.254 1.00 0.00 C ATOM 486 CD2 LEU A 336 11.842 31.491 5.872 1.00 0.00 C ATOM 0 H LEU A 336 8.354 28.582 7.003 1.00 0.00 H new ATOM 0 HA LEU A 336 11.274 29.126 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 336 8.927 30.947 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 336 10.545 31.249 8.318 1.00 0.00 H new ATOM 0 HG LEU A 336 9.784 31.092 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 336 10.117 33.551 5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 336 8.781 33.078 6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 336 10.354 33.546 7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 336 12.053 32.038 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.409 31.929 6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.131 30.447 5.747 1.00 0.00 H new ATOM 498 N LEU A 337 11.364 28.132 9.331 1.00 0.00 N ATOM 499 CA LEU A 337 11.500 27.494 10.649 1.00 0.00 C ATOM 500 C LEU A 337 11.937 28.528 11.691 1.00 0.00 C ATOM 501 O LEU A 337 13.007 29.139 11.560 1.00 0.00 O ATOM 502 CB LEU A 337 12.512 26.299 10.613 1.00 0.00 C ATOM 503 CG LEU A 337 12.072 25.019 9.816 1.00 0.00 C ATOM 504 CD1 LEU A 337 11.975 25.279 8.295 1.00 0.00 C ATOM 505 CD2 LEU A 337 13.001 23.819 10.124 1.00 0.00 C ATOM 0 H LEU A 337 12.216 28.097 8.772 1.00 0.00 H new ATOM 0 HA LEU A 337 10.526 27.092 10.926 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.448 26.660 10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 337 12.724 26.003 11.640 1.00 0.00 H new ATOM 0 HG LEU A 337 11.069 24.763 10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 337 11.668 24.364 7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 337 11.241 26.063 8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 337 12.948 25.594 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 337 12.671 22.948 9.557 1.00 0.00 H new ATOM 0 HD22 LEU A 337 14.024 24.069 9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 337 12.963 23.594 11.190 1.00 0.00 H new ATOM 517 N CYS A 338 11.071 28.759 12.697 1.00 0.00 N ATOM 518 CA CYS A 338 11.427 29.543 13.882 1.00 0.00 C ATOM 519 C CYS A 338 12.497 28.801 14.678 1.00 0.00 C ATOM 520 O CYS A 338 12.192 27.793 15.305 1.00 0.00 O ATOM 521 CB CYS A 338 10.210 29.815 14.785 1.00 0.00 C ATOM 522 SG CYS A 338 10.627 30.853 16.233 1.00 0.00 S ATOM 0 H CYS A 338 10.113 28.408 12.706 1.00 0.00 H new ATOM 0 HA CYS A 338 11.806 30.506 13.541 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.432 30.307 14.202 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.798 28.866 15.129 1.00 0.00 H new ATOM 0 HG CYS A 338 10.024 30.390 17.287 1.00 0.00 H new ATOM 527 N ASP A 339 13.733 29.308 14.606 1.00 0.00 N ATOM 528 CA ASP A 339 14.898 28.784 15.339 1.00 0.00 C ATOM 529 C ASP A 339 14.586 28.570 16.838 1.00 0.00 C ATOM 530 O ASP A 339 14.948 27.543 17.418 1.00 0.00 O ATOM 531 CB ASP A 339 16.086 29.764 15.174 1.00 0.00 C ATOM 532 CG ASP A 339 17.358 29.310 15.911 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.569 29.723 17.075 1.00 0.00 O ATOM 534 OD2 ASP A 339 18.138 28.523 15.337 1.00 0.00 O ATOM 0 H ASP A 339 13.960 30.114 14.023 1.00 0.00 H new ATOM 0 HA ASP A 339 15.156 27.811 14.921 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.310 29.877 14.113 1.00 0.00 H new ATOM 0 HB3 ASP A 339 15.792 30.746 15.544 1.00 0.00 H new ATOM 539 N GLU A 340 13.900 29.562 17.436 1.00 0.00 N ATOM 540 CA GLU A 340 13.476 29.536 18.850 1.00 0.00 C ATOM 541 C GLU A 340 12.594 28.298 19.165 1.00 0.00 C ATOM 542 O GLU A 340 12.844 27.574 20.130 1.00 0.00 O ATOM 543 CB GLU A 340 12.702 30.845 19.167 1.00 0.00 C ATOM 544 CG GLU A 340 12.245 31.016 20.635 1.00 0.00 C ATOM 545 CD GLU A 340 13.395 31.216 21.641 1.00 0.00 C ATOM 546 OE1 GLU A 340 13.777 30.248 22.326 1.00 0.00 O ATOM 547 OE2 GLU A 340 13.922 32.348 21.745 1.00 0.00 O ATOM 0 H GLU A 340 13.621 30.413 16.947 1.00 0.00 H new ATOM 0 HA GLU A 340 14.364 29.464 19.478 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.334 31.692 18.902 1.00 0.00 H new ATOM 0 HB3 GLU A 340 11.823 30.890 18.525 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.572 31.872 20.696 1.00 0.00 H new ATOM 0 HG3 GLU A 340 11.671 30.137 20.929 1.00 0.00 H new ATOM 554 N CYS A 341 11.581 28.048 18.311 1.00 0.00 N ATOM 555 CA CYS A 341 10.543 27.020 18.568 1.00 0.00 C ATOM 556 C CYS A 341 10.823 25.693 17.824 1.00 0.00 C ATOM 557 O CYS A 341 10.100 24.707 18.033 1.00 0.00 O ATOM 558 CB CYS A 341 9.160 27.568 18.154 1.00 0.00 C ATOM 559 SG CYS A 341 8.641 29.092 19.018 1.00 0.00 S ATOM 0 H CYS A 341 11.457 28.546 17.430 1.00 0.00 H new ATOM 0 HA CYS A 341 10.560 26.800 19.635 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.169 27.762 17.081 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.412 26.795 18.332 1.00 0.00 H new ATOM 0 HG CYS A 341 8.132 29.925 18.160 1.00 0.00 H new ATOM 564 N ASP A 342 11.855 25.691 16.953 1.00 0.00 N ATOM 565 CA ASP A 342 12.213 24.548 16.067 1.00 0.00 C ATOM 566 C ASP A 342 11.044 24.137 15.120 1.00 0.00 C ATOM 567 O ASP A 342 11.048 23.044 14.549 1.00 0.00 O ATOM 568 CB ASP A 342 12.703 23.326 16.909 1.00 0.00 C ATOM 569 CG ASP A 342 13.868 23.649 17.872 1.00 0.00 C ATOM 570 OD1 ASP A 342 13.607 24.065 19.031 1.00 0.00 O ATOM 571 OD2 ASP A 342 15.045 23.483 17.483 1.00 0.00 O ATOM 0 H ASP A 342 12.476 26.492 16.839 1.00 0.00 H new ATOM 0 HA ASP A 342 13.031 24.885 15.430 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.865 22.938 17.487 1.00 0.00 H new ATOM 0 HB3 ASP A 342 13.016 22.533 16.230 1.00 0.00 H new ATOM 576 N MET A 343 10.077 25.056 14.920 1.00 0.00 N ATOM 577 CA MET A 343 8.815 24.792 14.187 1.00 0.00 C ATOM 578 C MET A 343 8.786 25.544 12.858 1.00 0.00 C ATOM 579 O MET A 343 9.157 26.715 12.803 1.00 0.00 O ATOM 580 CB MET A 343 7.590 25.205 15.053 1.00 0.00 C ATOM 581 CG MET A 343 7.217 24.233 16.180 1.00 0.00 C ATOM 582 SD MET A 343 6.553 22.657 15.561 1.00 0.00 S ATOM 583 CE MET A 343 8.001 21.601 15.419 1.00 0.00 C ATOM 0 H MET A 343 10.148 26.013 15.265 1.00 0.00 H new ATOM 0 HA MET A 343 8.764 23.723 13.981 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.791 26.182 15.492 1.00 0.00 H new ATOM 0 HB3 MET A 343 6.727 25.321 14.397 1.00 0.00 H new ATOM 0 HG2 MET A 343 8.098 24.036 16.790 1.00 0.00 H new ATOM 0 HG3 MET A 343 6.478 24.703 16.829 1.00 0.00 H new ATOM 0 HE1 MET A 343 8.088 21.239 14.395 1.00 0.00 H new ATOM 0 HE2 MET A 343 8.893 22.170 15.680 1.00 0.00 H new ATOM 0 HE3 MET A 343 7.901 20.753 16.097 1.00 0.00 H new ATOM 593 N ALA A 344 8.299 24.858 11.811 1.00 0.00 N ATOM 594 CA ALA A 344 8.199 25.404 10.447 1.00 0.00 C ATOM 595 C ALA A 344 6.889 26.183 10.264 1.00 0.00 C ATOM 596 O ALA A 344 5.868 25.859 10.876 1.00 0.00 O ATOM 597 CB ALA A 344 8.312 24.273 9.408 1.00 0.00 C ATOM 0 H ALA A 344 7.960 23.899 11.888 1.00 0.00 H new ATOM 0 HA ALA A 344 9.026 26.098 10.293 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.236 24.692 8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.273 23.771 9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.507 23.555 9.563 1.00 0.00 H new ATOM 603 N PHE A 345 6.934 27.211 9.413 1.00 0.00 N ATOM 604 CA PHE A 345 5.792 28.106 9.126 1.00 0.00 C ATOM 605 C PHE A 345 5.630 28.263 7.615 1.00 0.00 C ATOM 606 O PHE A 345 6.234 27.535 6.847 1.00 0.00 O ATOM 607 CB PHE A 345 6.000 29.500 9.792 1.00 0.00 C ATOM 608 CG PHE A 345 5.775 29.507 11.296 1.00 0.00 C ATOM 609 CD1 PHE A 345 6.716 28.973 12.165 1.00 0.00 C ATOM 610 CD2 PHE A 345 4.605 30.033 11.831 1.00 0.00 C ATOM 611 CE1 PHE A 345 6.485 28.954 13.517 1.00 0.00 C ATOM 612 CE2 PHE A 345 4.377 30.022 13.183 1.00 0.00 C ATOM 613 CZ PHE A 345 5.314 29.483 14.023 1.00 0.00 C ATOM 0 H PHE A 345 7.776 27.455 8.891 1.00 0.00 H new ATOM 0 HA PHE A 345 4.887 27.663 9.542 1.00 0.00 H new ATOM 0 HB2 PHE A 345 7.014 29.842 9.585 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.321 30.217 9.330 1.00 0.00 H new ATOM 0 HD1 PHE A 345 7.638 28.569 11.774 1.00 0.00 H new ATOM 0 HD2 PHE A 345 3.863 30.457 11.171 1.00 0.00 H new ATOM 0 HE1 PHE A 345 7.218 28.526 14.185 1.00 0.00 H new ATOM 0 HE2 PHE A 345 3.463 30.436 13.583 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.136 29.471 15.088 1.00 0.00 H new ATOM 623 N HIS A 346 4.742 29.167 7.218 1.00 0.00 N ATOM 624 CA HIS A 346 4.642 29.665 5.837 1.00 0.00 C ATOM 625 C HIS A 346 4.576 31.187 5.885 1.00 0.00 C ATOM 626 O HIS A 346 4.126 31.741 6.887 1.00 0.00 O ATOM 627 CB HIS A 346 3.390 29.105 5.097 1.00 0.00 C ATOM 628 CG HIS A 346 3.575 27.741 4.503 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.710 26.695 4.763 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.530 27.329 3.649 1.00 0.00 C ATOM 631 CE1 HIS A 346 3.175 25.686 4.050 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.270 26.034 3.371 1.00 0.00 N ATOM 0 H HIS A 346 4.059 29.585 7.849 1.00 0.00 H new ATOM 0 HA HIS A 346 5.517 29.327 5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.555 29.072 5.797 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.113 29.798 4.303 1.00 0.00 H new ATOM 0 HD2 HIS A 346 5.346 27.920 3.261 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.726 24.704 4.020 1.00 0.00 H new ATOM 0 HE2 HIS A 346 4.813 25.430 2.753 1.00 0.00 H new ATOM 640 N LEU A 347 4.997 31.847 4.790 1.00 0.00 N ATOM 641 CA LEU A 347 4.846 33.313 4.611 1.00 0.00 C ATOM 642 C LEU A 347 3.384 33.763 4.846 1.00 0.00 C ATOM 643 O LEU A 347 3.133 34.822 5.412 1.00 0.00 O ATOM 644 CB LEU A 347 5.311 33.726 3.179 1.00 0.00 C ATOM 645 CG LEU A 347 6.845 33.612 2.895 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.179 33.981 1.430 1.00 0.00 C ATOM 647 CD2 LEU A 347 7.652 34.483 3.880 1.00 0.00 C ATOM 0 H LEU A 347 5.451 31.385 4.003 1.00 0.00 H new ATOM 0 HA LEU A 347 5.472 33.810 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 347 4.781 33.108 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.005 34.757 3.003 1.00 0.00 H new ATOM 0 HG LEU A 347 7.132 32.571 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.253 33.891 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 347 6.652 33.306 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 347 6.867 35.007 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 347 8.716 34.387 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.352 35.526 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.459 34.152 4.901 1.00 0.00 H new ATOM 659 N TYR A 348 2.444 32.893 4.447 1.00 0.00 N ATOM 660 CA TYR A 348 0.994 33.159 4.477 1.00 0.00 C ATOM 661 C TYR A 348 0.296 32.456 5.670 1.00 0.00 C ATOM 662 O TYR A 348 -0.929 32.521 5.796 1.00 0.00 O ATOM 663 CB TYR A 348 0.368 32.737 3.109 1.00 0.00 C ATOM 664 CG TYR A 348 0.698 31.302 2.632 1.00 0.00 C ATOM 665 CD1 TYR A 348 1.932 30.999 2.036 1.00 0.00 C ATOM 666 CD2 TYR A 348 -0.227 30.263 2.756 1.00 0.00 C ATOM 667 CE1 TYR A 348 2.226 29.721 1.600 1.00 0.00 C ATOM 668 CE2 TYR A 348 0.069 28.986 2.317 1.00 0.00 C ATOM 669 CZ TYR A 348 1.291 28.719 1.736 1.00 0.00 C ATOM 670 OH TYR A 348 1.591 27.440 1.317 1.00 0.00 O ATOM 0 H TYR A 348 2.673 31.966 4.087 1.00 0.00 H new ATOM 0 HA TYR A 348 0.837 34.227 4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.715 32.836 3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 348 0.702 33.439 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 348 2.667 31.781 1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 348 -1.190 30.461 3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 348 3.186 29.509 1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 348 -0.658 28.196 2.429 1.00 0.00 H new ATOM 0 HH TYR A 348 0.850 26.840 1.542 1.00 0.00 H new ATOM 680 N CYS A 349 1.078 31.790 6.552 1.00 0.00 N ATOM 681 CA CYS A 349 0.561 31.165 7.805 1.00 0.00 C ATOM 682 C CYS A 349 0.934 32.000 9.037 1.00 0.00 C ATOM 683 O CYS A 349 0.897 31.508 10.171 1.00 0.00 O ATOM 684 CB CYS A 349 1.104 29.729 7.961 1.00 0.00 C ATOM 685 SG CYS A 349 0.402 28.547 6.785 1.00 0.00 S ATOM 0 H CYS A 349 2.082 31.668 6.421 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.526 31.128 7.730 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.187 29.746 7.841 1.00 0.00 H new ATOM 0 HB3 CYS A 349 0.901 29.382 8.974 1.00 0.00 H new ATOM 0 HG CYS A 349 0.377 27.363 7.322 1.00 0.00 H new ATOM 690 N LEU A 350 1.278 33.267 8.799 1.00 0.00 N ATOM 691 CA LEU A 350 1.713 34.201 9.849 1.00 0.00 C ATOM 692 C LEU A 350 0.620 35.230 10.133 1.00 0.00 C ATOM 693 O LEU A 350 -0.416 35.263 9.458 1.00 0.00 O ATOM 694 CB LEU A 350 3.027 34.898 9.411 1.00 0.00 C ATOM 695 CG LEU A 350 4.214 33.939 9.143 1.00 0.00 C ATOM 696 CD1 LEU A 350 5.409 34.676 8.529 1.00 0.00 C ATOM 697 CD2 LEU A 350 4.613 33.183 10.426 1.00 0.00 C ATOM 0 H LEU A 350 1.264 33.681 7.867 1.00 0.00 H new ATOM 0 HA LEU A 350 1.899 33.647 10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 350 2.832 35.474 8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 350 3.320 35.609 10.184 1.00 0.00 H new ATOM 0 HG LEU A 350 3.884 33.201 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.222 33.970 8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.111 35.127 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 350 5.745 35.456 9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 350 5.448 32.517 10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 350 4.908 33.899 11.193 1.00 0.00 H new ATOM 0 HD23 LEU A 350 3.765 32.598 10.782 1.00 0.00 H new ATOM 709 N LYS A 351 0.857 36.050 11.158 1.00 0.00 N ATOM 710 CA LYS A 351 0.006 37.190 11.498 1.00 0.00 C ATOM 711 C LYS A 351 0.936 38.250 12.145 1.00 0.00 C ATOM 712 O LYS A 351 1.303 38.093 13.308 1.00 0.00 O ATOM 713 CB LYS A 351 -1.170 36.737 12.434 1.00 0.00 C ATOM 714 CG LYS A 351 -2.438 37.642 12.421 1.00 0.00 C ATOM 715 CD LYS A 351 -2.253 39.029 13.074 1.00 0.00 C ATOM 716 CE LYS A 351 -1.902 38.941 14.571 1.00 0.00 C ATOM 717 NZ LYS A 351 -1.675 40.279 15.177 1.00 0.00 N ATOM 0 H LYS A 351 1.656 35.939 11.783 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.479 37.622 10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -1.466 35.727 12.151 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -0.795 36.685 13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.756 37.782 11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -3.245 37.119 12.935 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.464 39.569 12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -3.169 39.608 12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -2.709 38.436 15.102 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -1.007 38.331 14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -1.442 40.169 16.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -0.888 40.752 14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -2.536 40.854 15.082 1.00 0.00 H new ATOM 731 N PRO A 352 1.387 39.318 11.393 1.00 0.00 N ATOM 732 CA PRO A 352 1.023 39.568 9.971 1.00 0.00 C ATOM 733 C PRO A 352 1.824 38.680 8.970 1.00 0.00 C ATOM 734 O PRO A 352 3.024 38.438 9.188 1.00 0.00 O ATOM 735 CB PRO A 352 1.360 41.068 9.804 1.00 0.00 C ATOM 736 CG PRO A 352 2.518 41.296 10.721 1.00 0.00 C ATOM 737 CD PRO A 352 2.310 40.370 11.907 1.00 0.00 C ATOM 0 HA PRO A 352 -0.016 39.320 9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 352 1.619 41.304 8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.512 41.698 10.072 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.461 41.079 10.219 1.00 0.00 H new ATOM 0 HG3 PRO A 352 2.560 42.337 11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.252 39.941 12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 352 1.877 40.900 12.755 1.00 0.00 H new ATOM 745 N PRO A 353 1.156 38.142 7.888 1.00 0.00 N ATOM 746 CA PRO A 353 1.836 37.373 6.815 1.00 0.00 C ATOM 747 C PRO A 353 2.990 38.160 6.156 1.00 0.00 C ATOM 748 O PRO A 353 2.775 39.260 5.626 1.00 0.00 O ATOM 749 CB PRO A 353 0.698 37.070 5.801 1.00 0.00 C ATOM 750 CG PRO A 353 -0.549 37.105 6.623 1.00 0.00 C ATOM 751 CD PRO A 353 -0.318 38.198 7.649 1.00 0.00 C ATOM 0 HA PRO A 353 2.315 36.473 7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.669 37.812 5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.835 36.098 5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -1.421 37.322 6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -0.730 36.144 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.628 39.173 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.881 38.015 8.564 1.00 0.00 H new ATOM 759 N LEU A 354 4.215 37.597 6.224 1.00 0.00 N ATOM 760 CA LEU A 354 5.409 38.186 5.582 1.00 0.00 C ATOM 761 C LEU A 354 5.356 37.942 4.066 1.00 0.00 C ATOM 762 O LEU A 354 4.875 36.899 3.614 1.00 0.00 O ATOM 763 CB LEU A 354 6.720 37.594 6.178 1.00 0.00 C ATOM 764 CG LEU A 354 6.957 37.846 7.700 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.263 37.172 8.191 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.946 39.352 8.044 1.00 0.00 C ATOM 0 H LEU A 354 4.403 36.727 6.722 1.00 0.00 H new ATOM 0 HA LEU A 354 5.409 39.259 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.721 36.518 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.565 38.007 5.626 1.00 0.00 H new ATOM 0 HG LEU A 354 6.124 37.385 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.396 37.368 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.202 36.096 8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 354 9.111 37.577 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 354 7.115 39.482 9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.735 39.858 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.980 39.780 7.774 1.00 0.00 H new ATOM 778 N THR A 355 5.828 38.922 3.293 1.00 0.00 N ATOM 779 CA THR A 355 5.897 38.831 1.824 1.00 0.00 C ATOM 780 C THR A 355 7.124 38.008 1.388 1.00 0.00 C ATOM 781 O THR A 355 7.086 37.308 0.367 1.00 0.00 O ATOM 782 CB THR A 355 5.953 40.257 1.192 1.00 0.00 C ATOM 783 OG1 THR A 355 6.993 41.022 1.827 1.00 0.00 O ATOM 784 CG2 THR A 355 4.610 41.005 1.329 1.00 0.00 C ATOM 0 H THR A 355 6.176 39.806 3.665 1.00 0.00 H new ATOM 0 HA THR A 355 4.998 38.326 1.470 1.00 0.00 H new ATOM 0 HB THR A 355 6.161 40.140 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 355 7.030 41.917 1.429 1.00 0.00 H new ATOM 0 HG21 THR A 355 4.696 41.992 0.875 1.00 0.00 H new ATOM 0 HG22 THR A 355 3.826 40.441 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 355 4.359 41.111 2.384 1.00 0.00 H new ATOM 792 N SER A 356 8.197 38.091 2.186 1.00 0.00 N ATOM 793 CA SER A 356 9.461 37.402 1.911 1.00 0.00 C ATOM 794 C SER A 356 10.178 37.087 3.234 1.00 0.00 C ATOM 795 O SER A 356 9.767 37.554 4.313 1.00 0.00 O ATOM 796 CB SER A 356 10.354 38.272 0.990 1.00 0.00 C ATOM 797 OG SER A 356 11.535 37.581 0.603 1.00 0.00 O ATOM 0 H SER A 356 8.211 38.641 3.045 1.00 0.00 H new ATOM 0 HA SER A 356 9.257 36.464 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 356 9.791 38.558 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 356 10.623 39.193 1.507 1.00 0.00 H new ATOM 0 HG SER A 356 12.075 38.156 0.022 1.00 0.00 H new ATOM 803 N VAL A 357 11.237 36.272 3.129 1.00 0.00 N ATOM 804 CA VAL A 357 12.129 35.947 4.244 1.00 0.00 C ATOM 805 C VAL A 357 12.915 37.220 4.684 1.00 0.00 C ATOM 806 O VAL A 357 13.434 37.947 3.832 1.00 0.00 O ATOM 807 CB VAL A 357 13.115 34.765 3.856 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.885 35.055 2.538 1.00 0.00 C ATOM 809 CG2 VAL A 357 14.093 34.422 5.015 1.00 0.00 C ATOM 0 H VAL A 357 11.499 35.816 2.255 1.00 0.00 H new ATOM 0 HA VAL A 357 11.528 35.605 5.087 1.00 0.00 H new ATOM 0 HB VAL A 357 12.493 33.887 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.547 34.219 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 357 13.174 35.185 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 357 14.475 35.964 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.750 33.608 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.692 35.300 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 357 13.524 34.117 5.893 1.00 0.00 H new ATOM 819 N PRO A 358 12.927 37.554 6.019 1.00 0.00 N ATOM 820 CA PRO A 358 13.789 38.628 6.589 1.00 0.00 C ATOM 821 C PRO A 358 15.303 38.386 6.334 1.00 0.00 C ATOM 822 O PRO A 358 15.723 37.235 6.170 1.00 0.00 O ATOM 823 CB PRO A 358 13.465 38.582 8.107 1.00 0.00 C ATOM 824 CG PRO A 358 12.112 37.953 8.192 1.00 0.00 C ATOM 825 CD PRO A 358 12.054 36.959 7.058 1.00 0.00 C ATOM 0 HA PRO A 358 13.589 39.596 6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 358 14.207 37.998 8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 358 13.464 39.582 8.541 1.00 0.00 H new ATOM 0 HG2 PRO A 358 11.969 37.460 9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.325 38.701 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 358 12.413 35.978 7.368 1.00 0.00 H new ATOM 0 HD3 PRO A 358 11.035 36.825 6.695 1.00 0.00 H new ATOM 833 N PRO A 359 16.158 39.465 6.331 1.00 0.00 N ATOM 834 CA PRO A 359 17.632 39.338 6.129 1.00 0.00 C ATOM 835 C PRO A 359 18.396 39.002 7.439 1.00 0.00 C ATOM 836 O PRO A 359 19.613 39.187 7.530 1.00 0.00 O ATOM 837 CB PRO A 359 17.985 40.754 5.618 1.00 0.00 C ATOM 838 CG PRO A 359 17.089 41.640 6.427 1.00 0.00 C ATOM 839 CD PRO A 359 15.766 40.898 6.513 1.00 0.00 C ATOM 0 HA PRO A 359 17.909 38.525 5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 359 19.037 40.990 5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.795 40.856 4.550 1.00 0.00 H new ATOM 0 HG2 PRO A 359 17.504 41.820 7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 359 16.964 42.613 5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 359 15.276 41.061 7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 359 15.071 41.226 5.740 1.00 0.00 H new ATOM 847 N GLU A 360 17.651 38.515 8.436 1.00 0.00 N ATOM 848 CA GLU A 360 18.161 38.207 9.782 1.00 0.00 C ATOM 849 C GLU A 360 18.970 36.880 9.808 1.00 0.00 C ATOM 850 O GLU A 360 18.720 35.985 8.988 1.00 0.00 O ATOM 851 CB GLU A 360 16.958 38.157 10.755 1.00 0.00 C ATOM 852 CG GLU A 360 16.195 39.496 10.838 1.00 0.00 C ATOM 853 CD GLU A 360 15.056 39.487 11.859 1.00 0.00 C ATOM 854 OE1 GLU A 360 13.874 39.398 11.466 1.00 0.00 O ATOM 855 OE2 GLU A 360 15.343 39.547 13.071 1.00 0.00 O ATOM 0 H GLU A 360 16.656 38.319 8.331 1.00 0.00 H new ATOM 0 HA GLU A 360 18.856 38.987 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 360 16.271 37.373 10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 360 17.313 37.885 11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 360 16.897 40.290 11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 360 15.789 39.735 9.855 1.00 0.00 H new ATOM 862 N PRO A 361 19.951 36.728 10.773 1.00 0.00 N ATOM 863 CA PRO A 361 20.817 35.516 10.871 1.00 0.00 C ATOM 864 C PRO A 361 20.085 34.282 11.463 1.00 0.00 C ATOM 865 O PRO A 361 20.644 33.176 11.508 1.00 0.00 O ATOM 866 CB PRO A 361 21.954 35.997 11.804 1.00 0.00 C ATOM 867 CG PRO A 361 21.299 36.995 12.707 1.00 0.00 C ATOM 868 CD PRO A 361 20.298 37.727 11.837 1.00 0.00 C ATOM 0 HA PRO A 361 21.154 35.168 9.895 1.00 0.00 H new ATOM 0 HB2 PRO A 361 22.380 35.169 12.370 1.00 0.00 H new ATOM 0 HB3 PRO A 361 22.768 36.448 11.237 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.805 36.502 13.545 1.00 0.00 H new ATOM 0 HG3 PRO A 361 22.031 37.684 13.128 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.418 38.028 12.406 1.00 0.00 H new ATOM 0 HD3 PRO A 361 20.727 38.634 11.410 1.00 0.00 H new ATOM 876 N GLU A 362 18.843 34.504 11.929 1.00 0.00 N ATOM 877 CA GLU A 362 17.977 33.476 12.528 1.00 0.00 C ATOM 878 C GLU A 362 16.524 33.962 12.467 1.00 0.00 C ATOM 879 O GLU A 362 16.251 35.163 12.658 1.00 0.00 O ATOM 880 CB GLU A 362 18.424 33.181 13.985 1.00 0.00 C ATOM 881 CG GLU A 362 18.557 34.432 14.881 1.00 0.00 C ATOM 882 CD GLU A 362 19.463 34.187 16.087 1.00 0.00 C ATOM 883 OE1 GLU A 362 18.986 33.668 17.107 1.00 0.00 O ATOM 884 OE2 GLU A 362 20.672 34.483 16.011 1.00 0.00 O ATOM 0 H GLU A 362 18.405 35.425 11.898 1.00 0.00 H new ATOM 0 HA GLU A 362 18.058 32.542 11.972 1.00 0.00 H new ATOM 0 HB2 GLU A 362 17.707 32.498 14.440 1.00 0.00 H new ATOM 0 HB3 GLU A 362 19.384 32.664 13.960 1.00 0.00 H new ATOM 0 HG2 GLU A 362 18.956 35.258 14.292 1.00 0.00 H new ATOM 0 HG3 GLU A 362 17.569 34.735 15.227 1.00 0.00 H new ATOM 891 N TRP A 363 15.593 33.044 12.161 1.00 0.00 N ATOM 892 CA TRP A 363 14.185 33.399 11.956 1.00 0.00 C ATOM 893 C TRP A 363 13.368 33.127 13.231 1.00 0.00 C ATOM 894 O TRP A 363 13.526 32.086 13.878 1.00 0.00 O ATOM 895 CB TRP A 363 13.591 32.641 10.735 1.00 0.00 C ATOM 896 CG TRP A 363 12.291 33.246 10.239 1.00 0.00 C ATOM 897 CD1 TRP A 363 12.159 34.334 9.428 1.00 0.00 C ATOM 898 CD2 TRP A 363 10.954 32.818 10.541 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.833 34.601 9.206 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.077 33.687 9.876 1.00 0.00 C ATOM 901 CE3 TRP A 363 10.420 31.780 11.296 1.00 0.00 C ATOM 902 CZ2 TRP A 363 8.700 33.557 9.954 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.052 31.647 11.378 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.204 32.534 10.711 1.00 0.00 C ATOM 0 H TRP A 363 15.793 32.050 12.051 1.00 0.00 H new ATOM 0 HA TRP A 363 14.130 34.466 11.740 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.319 32.642 9.924 1.00 0.00 H new ATOM 0 HB3 TRP A 363 13.420 31.600 11.008 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.981 34.903 9.019 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.471 35.362 8.631 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.069 31.087 11.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.043 34.239 9.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 8.629 30.846 11.966 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.135 32.408 10.795 1.00 0.00 H new ATOM 915 N TYR A 364 12.501 34.084 13.583 1.00 0.00 N ATOM 916 CA TYR A 364 11.586 33.990 14.727 1.00 0.00 C ATOM 917 C TYR A 364 10.140 34.117 14.231 1.00 0.00 C ATOM 918 O TYR A 364 9.880 34.739 13.200 1.00 0.00 O ATOM 919 CB TYR A 364 11.877 35.094 15.792 1.00 0.00 C ATOM 920 CG TYR A 364 13.210 34.981 16.557 1.00 0.00 C ATOM 921 CD1 TYR A 364 13.769 36.104 17.179 1.00 0.00 C ATOM 922 CD2 TYR A 364 13.890 33.762 16.695 1.00 0.00 C ATOM 923 CE1 TYR A 364 14.943 36.019 17.898 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.073 33.682 17.407 1.00 0.00 C ATOM 925 CZ TYR A 364 15.590 34.811 18.010 1.00 0.00 C ATOM 926 OH TYR A 364 16.750 34.724 18.748 1.00 0.00 O ATOM 0 H TYR A 364 12.414 34.962 13.071 1.00 0.00 H new ATOM 0 HA TYR A 364 11.737 33.022 15.204 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.851 36.063 15.294 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.065 35.088 16.519 1.00 0.00 H new ATOM 0 HD1 TYR A 364 13.270 37.058 17.094 1.00 0.00 H new ATOM 0 HD2 TYR A 364 13.483 32.872 16.238 1.00 0.00 H new ATOM 0 HE1 TYR A 364 15.353 36.899 18.372 1.00 0.00 H new ATOM 0 HE2 TYR A 364 15.591 32.738 17.491 1.00 0.00 H new ATOM 0 HH TYR A 364 17.467 34.358 18.189 1.00 0.00 H new ATOM 936 N CYS A 365 9.208 33.519 14.982 1.00 0.00 N ATOM 937 CA CYS A 365 7.767 33.592 14.676 1.00 0.00 C ATOM 938 C CYS A 365 7.138 34.783 15.427 1.00 0.00 C ATOM 939 O CYS A 365 7.682 35.183 16.470 1.00 0.00 O ATOM 940 CB CYS A 365 7.079 32.273 15.089 1.00 0.00 C ATOM 941 SG CYS A 365 7.018 31.963 16.882 1.00 0.00 S ATOM 0 H CYS A 365 9.425 32.973 15.815 1.00 0.00 H new ATOM 0 HA CYS A 365 7.629 33.738 13.605 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.060 32.276 14.701 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.600 31.444 14.610 1.00 0.00 H new ATOM 0 HG CYS A 365 8.134 32.347 17.427 1.00 0.00 H new ATOM 946 N PRO A 366 6.010 35.387 14.905 1.00 0.00 N ATOM 947 CA PRO A 366 5.271 36.478 15.598 1.00 0.00 C ATOM 948 C PRO A 366 5.055 36.231 17.114 1.00 0.00 C ATOM 949 O PRO A 366 5.388 37.086 17.927 1.00 0.00 O ATOM 950 CB PRO A 366 3.922 36.502 14.841 1.00 0.00 C ATOM 951 CG PRO A 366 4.283 36.117 13.435 1.00 0.00 C ATOM 952 CD PRO A 366 5.407 35.102 13.564 1.00 0.00 C ATOM 0 HA PRO A 366 5.823 37.418 15.574 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.209 35.801 15.275 1.00 0.00 H new ATOM 0 HB3 PRO A 366 3.462 37.489 14.878 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.427 35.689 12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 366 4.604 36.986 12.861 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.030 34.081 13.506 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.140 35.217 12.766 1.00 0.00 H new ATOM 960 N SER A 367 4.582 35.015 17.466 1.00 0.00 N ATOM 961 CA SER A 367 4.192 34.641 18.851 1.00 0.00 C ATOM 962 C SER A 367 5.393 34.613 19.839 1.00 0.00 C ATOM 963 O SER A 367 5.193 34.556 21.057 1.00 0.00 O ATOM 964 CB SER A 367 3.455 33.276 18.839 1.00 0.00 C ATOM 965 OG SER A 367 2.950 32.928 20.120 1.00 0.00 O ATOM 0 H SER A 367 4.458 34.257 16.795 1.00 0.00 H new ATOM 0 HA SER A 367 3.520 35.418 19.216 1.00 0.00 H new ATOM 0 HB2 SER A 367 2.633 33.315 18.125 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.138 32.499 18.496 1.00 0.00 H new ATOM 0 HG SER A 367 3.527 33.311 20.814 1.00 0.00 H new ATOM 971 N CYS A 368 6.641 34.655 19.311 1.00 0.00 N ATOM 972 CA CYS A 368 7.876 34.733 20.141 1.00 0.00 C ATOM 973 C CYS A 368 8.013 36.100 20.841 1.00 0.00 C ATOM 974 O CYS A 368 8.771 36.228 21.813 1.00 0.00 O ATOM 975 CB CYS A 368 9.146 34.411 19.302 1.00 0.00 C ATOM 976 SG CYS A 368 9.721 32.697 19.461 1.00 0.00 S ATOM 0 H CYS A 368 6.823 34.636 18.308 1.00 0.00 H new ATOM 0 HA CYS A 368 7.784 33.974 20.918 1.00 0.00 H new ATOM 0 HB2 CYS A 368 8.937 34.617 18.252 1.00 0.00 H new ATOM 0 HB3 CYS A 368 9.949 35.082 19.605 1.00 0.00 H new ATOM 0 HG CYS A 368 10.003 32.223 18.284 1.00 0.00 H new